| 1 |
Boundary Condition Effects on the Dynamic and Electric Properties of Hydration Layers
Chandramouli B, Zazza C, Mancini G, Brancato G
Journal of Physical Chemistry A, 119(21), 5465, 2015 |
| 2 |
Oxygen Adsorption on beta-Quartz Model Surfaces: Some Insights from Density Functional Theory Calculations and Semiclassical Time-Dependent Dynamics
Zazza C, Rutigliano M, Sanna N, Barone V, Cacciatore M
Journal of Physical Chemistry A, 116(9), 1975, 2012 |
| 3 |
A Single-Site Mutation (F429H) Converts the Enzyme CYP 2B4 into a Heme Oxygenase: A QM/MM Study
Usharani D, Zazza C, Lai WZ, Chourasia M, Waskell L, Shaik S
Journal of the American Chemical Society, 134(9), 4053, 2012 |
| 4 |
Characterization of Electronic Properties in Complex Molecular Systems: Modeling of a Micropolarity Probe
Aschi M, Fontana A, Di Meo EM, Zazza C, Amadei A
Journal of Physical Chemistry B, 114(5), 1915, 2010 |
| 5 |
Solvent Effects on the Valence UV-Vis Absorption Spectra of Topotecan Anticancer Drug in Aqueous Solution at Room Temperature: A Nanoseconds Time-Scale TD-DFT/MD Computational Study
Zazza C, Coletta A, Sanna N, Chillemi G, Mancini G, Desideri A
Journal of Physical Chemistry B, 114(20), 6770, 2010 |
| 6 |
Computational Study on Compound I Redox-Active Species in Horseradish Peroxydase Enzyme: Conformational Fluctuations and Solvation Effects
Zazza C, Palma A, Sanna N, Tatoli S, Aschi M
Journal of Physical Chemistry B, 114(20), 6817, 2010 |
| 7 |
In Silico Characterization of a Fourfold Magnesium Organometallic Compound in PTCDA Thin Films
Zazza C, Sanna N, Palma A
Journal of Physical Chemistry A, 113(52), 14813, 2009 |
| 8 |
Oxygen Adsorption on beta-Cristobalite Polymorph: Ab Initio Modeling and Semiclassical Time-Dependent Dynamics
Rutigliano M, Zazza C, Sanna N, Pieretti A, Mancini G, Barone V, Cacciatore M
Journal of Physical Chemistry A, 113(52), 15366, 2009 |
| 9 |
UV-Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution: Specific Spectroscopic Signatures Unraveled by a Combined Computational and Experimental Study
Sanna N, Chillemi G, Gontrani L, Grandi A, Mancini G, Castelli S, Zagotto G, Zazza C, Barone V, Desideri A
Journal of Physical Chemistry B, 113(16), 5369, 2009 |
| 10 |
Theoretical modeling of enzyme reactions: The thermodynamics of formation of compound in horseradish peroxidase
Zazza C, Amadei A, Palma A, Sanna N, Tatoli S, Aschi M
Journal of Physical Chemistry B, 112(10), 3184, 2008 |
